2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide

C19H25N5O2S — CID 163368394

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(C)cc3)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-14-3-5-16(6-4-14)22-18(26)13-24-9-7-23(8-10-24)12-17-11-20-19(27-17)21-15(2)25/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,26)(H,20,21,25)
InChIKeyRKKIMWYWKGNRES-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.17
Rot. Bonds6

About 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 163368394) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID163368394
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(C)cc3)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-14-3-5-16(6-4-14)22-18(26)13-24-9-7-23(8-10-24)12-17-11-20-19(27-17)21-15(2)25/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,26)(H,20,21,25)
InChIKeyRKKIMWYWKGNRES-UHFFFAOYSA-N
XLogP2.17
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide with MolForge

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Related Compounds

Pha-690509
CID 9902100
N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)ethanediamide
CID 564741
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
N-(1,3-Thiazol-2-yl)pyridin-2-amine 13
CID 5329326
2-(pyrazin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911223
N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 778225
N-(pyridin-3-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 1963831
1-(4-Methylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 324089
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162648381
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162662281

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 163368394) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide is CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccc(C)cc3)CC2)s1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is RKKIMWYWKGNRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14-3-5-16(6-4-14)22-18(26)13-24-9-7-23(8-10-24)12-17-11-20-19(27-17)21-15(2)25/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,26)(H,20,21,25).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 163368394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).